Geometry & MOs

Info

ID:

440507

PubChem CID:

135230493

Reduced:

F2O3N6C28H28 (1)

Stoich.:

A2B3C6D28E28 (1)

Weight, g/mol:

436.222289

ΔHf, kcal/mol:

-75.64

Dipole, Da:

8.82

IP(EA), eV:

 -8.9(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-2-ethyl-5-methyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methyl-2-oxopyridin-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CC(=O)N(C=C5)C)C

DOS

IR

Vibrations